3,5-dimethyl-1-(1-propan-2-ylimidazol-2-yl)piperazine

C12H22N4 — CID 106552731

IUPAC3,5-dimethyl-1-(1-propan-2-ylimidazol-2-yl)piperazine
SMILESCC1CN(c2nccn2C(C)C)CC(C)N1
InChIInChI=1S/C12H22N4/c1-9(2)16-6-5-13-12(16)15-7-10(3)14-11(4)8-15/h5-6,9-11,14H,7-8H2,1-4H3
InChIKeyORRCAPAENYEWTG-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.65
Rot. Bonds2

About 3,5-dimethyl-1-(1-propan-2-ylimidazol-2-yl)piperazine

3,5-dimethyl-1-(1-propan-2-ylimidazol-2-yl)piperazine (PubChem CID 106552731) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3,5-dimethyl-1-(1-propan-2-ylimidazol-2-yl)piperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-(1-propan-2-ylimidazol-2-yl)piperazine
PubChem CID106552731
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3,5-dimethyl-1-(1-propan-2-ylimidazol-2-yl)piperazine
SMILESCC1CN(c2nccn2C(C)C)CC(C)N1
InChIInChI=1S/C12H22N4/c1-9(2)16-6-5-13-12(16)15-7-10(3)14-11(4)8-15/h5-6,9-11,14H,7-8H2,1-4H3
InChIKeyORRCAPAENYEWTG-UHFFFAOYSA-N
XLogP1.65
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(1-propan-2-ylimidazol-2-yl)pyrrolidin-3-amine
CID 106554002
1-(1-cyclohexylimidazol-2-yl)-3,5-dimethylpiperazine
CID 106552732
[1-(1-propan-2-ylimidazol-2-yl)piperidin-3-yl]methanamine
CID 106552327
1-propan-2-yl-2-pyrazol-1-ylimidazole
CID 58415669
2-(3,5-dimethylpiperazin-1-yl)pyrazine
CID 62585562
(3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane
CID 168910991
N-(1-propan-2-ylimidazol-2-yl)piperidin-4-amine
CID 115026071
1-[1-(1-methoxypropan-2-yl)imidazol-2-yl]piperazine
CID 106552012
2-ethylsulfanyl-1-propan-2-ylimidazole
CID 117189974
4-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine
CID 84734211
1-(1-cyclopropylimidazol-2-yl)-3-methylpiperazine
CID 106552943
2-(1-chloroethyl)-1-propan-2-ylimidazole
CID 71632944

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(1-propan-2-ylimidazol-2-yl)piperazine?
The IUPAC name of 3,5-dimethyl-1-(1-propan-2-ylimidazol-2-yl)piperazine (CID 106552731) is 3,5-dimethyl-1-(1-propan-2-ylimidazol-2-yl)piperazine.
What is the SMILES notation for 3,5-dimethyl-1-(1-propan-2-ylimidazol-2-yl)piperazine?
The canonical SMILES for 3,5-dimethyl-1-(1-propan-2-ylimidazol-2-yl)piperazine is CC1CN(c2nccn2C(C)C)CC(C)N1.
What is the InChIKey of 3,5-dimethyl-1-(1-propan-2-ylimidazol-2-yl)piperazine?
The InChIKey is ORRCAPAENYEWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)16-6-5-13-12(16)15-7-10(3)14-11(4)8-15/h5-6,9-11,14H,7-8H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-(1-propan-2-ylimidazol-2-yl)piperazine?
3,5-dimethyl-1-(1-propan-2-ylimidazol-2-yl)piperazine has a molecular weight of 222.34 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(1-propan-2-ylimidazol-2-yl)piperazine is sourced from PubChem (CID 106552731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).